4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

C20H14FN5OS — CID 58541666

IUPAC4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESC1=CSC(=C1)CNC2=NC=CC(=N2)C3=C(N=C4N3C=CO4)C5=CC=C(C=C5)F
InChIInChI=1S/C20H14FN5OS/c21-14-5-3-13(4-6-14)17-18(26-9-10-27-20(26)25-17)16-7-8-22-19(24-16)23-12-15-2-1-11-28-15/h1-11H,12H2,(H,22,23,24)
InChIKeyIMNJRRQAMZTQQT-UHFFFAOYSA-N
MW391.40 g/mol
LogP4.50
Rot. Bonds5

About 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (PubChem CID 58541666) has the molecular formula C20H14FN5OS and a molecular weight of 391.40 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
PubChem CID58541666
Molecular FormulaC20H14FN5OS
Molecular Weight391.40 g/mol
Exact Mass391.09
IUPAC Name4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESC1=CSC(=C1)CNC2=NC=CC(=N2)C3=C(N=C4N3C=CO4)C5=CC=C(C=C5)F
InChIInChI=1S/C20H14FN5OS/c21-14-5-3-13(4-6-14)17-18(26-9-10-27-20(26)25-17)16-7-8-22-19(24-16)23-12-15-2-1-11-28-15/h1-11H,12H2,(H,22,23,24)
InChIKeyIMNJRRQAMZTQQT-UHFFFAOYSA-N
XLogP4.50
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity523

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (CID 58541666) is 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is C1=CSC(=C1)CNC2=NC=CC(=N2)C3=C(N=C4N3C=CO4)C5=CC=C(C=C5)F.
What is the InChIKey of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is IMNJRRQAMZTQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5OS/c21-14-5-3-13(4-6-14)17-18(26-9-10-27-20(26)25-17)16-7-8-22-19(24-16)23-12-15-2-1-11-28-15/h1-11H,12H2,(H,22,23,24).
What are the key properties of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 391.40 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 58541666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).